CID 171118827

1-palmitoleyl glycerone-3-phosphate

Structural Information

Molecular Formula
C19H37O6P
SMILES
CCCCCC/C=C\CCCCCCCCOCC(=O)COP(=O)(O)O
InChI
InChI=1S/C19H37O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-19(20)18-25-26(21,22)23/h7-8H,2-6,9-18H2,1H3,(H2,21,22,23)/b8-7-
InChIKey
AJDNTHSQYJKHKV-FPLPWBNLSA-N
Compound name
[3-[(Z)-hexadec-9-enoxy]-2-oxopropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.2328 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.240076 197.5
[M+Na]+ 415.222018 201.6
[M-H]- 391.225524 189.0
[M+NH4]+ 410.266623 197.2
[M+K]+ 431.195958 195.6
[M+H-H2O]+ 375.230060 194.9
[M+HCOO]- 437.231001 210.8
[M+CH3COO]- 451.246651 217.8
[M+Na-2H]- 413.207466 200.1
[M]+ 392.23225142 195.2
[M]- 392.23334858 195.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.